(5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione

Formula:C18H12N2O4BrF Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione is a drug-like molecule.

MolName(5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
MolecularFormulaC18H12N2O4BrF
SmilesO=C(/C(/N1)=C/c(cc2OCOc2c2)c2Br)N(Cc(cccc2)c2F)C1=O
InChIInChI=1S/C18H12BrFN2O4/c19-12-7-16-15(25-9-26-16)6-11(12)5-14-17(23)22(18(24)21-14)8-10-3-1-2-4-13(10)20/h1-7H,8-9H2,(H,21,24)
InChIKIKYCFWDSRRBEEB-UHFFFAOYSA-N
TotalMolweight419.205
Molweight419.205
MonoisotopicMass417.996447
CLogP3.4767
CLogS-5.556
H Acceptors6
H Donors1
TotalSurfaceArea260.49
Relative PSA0.23452
PolarSurfaceArea67.87
Druglikeness1.6636
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! 5-methylene-imidazolidine-2,4-dione
Shape Index0.53846
Fragments1
Non HAtoms26
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond3
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Amides2
StereoCon

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